3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one

C12H11IN2O — CID 163564919

IUPAC3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one
SMILESC=CCn1c(=O)c(CI)nc2ccccc21
InChIInChI=1S/C12H11IN2O/c1-2-7-15-11-6-4-3-5-9(11)14-10(8-13)12(15)16/h2-6H,1,7-8H2
InChIKeyFUJXWXFIBACHAO-UHFFFAOYSA-N
MW326.14 g/mol
LogP2.52
Rot. Bonds3

About 3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one

3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one (PubChem CID 163564919) has the molecular formula C12H11IN2O and a molecular weight of 326.14 g/mol. Its IUPAC name is 3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one.

Molecular Properties

Compound Name3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one
PubChem CID163564919
Molecular FormulaC12H11IN2O
Molecular Weight326.14 g/mol
Exact Mass325.99
IUPAC Name3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one
SMILESC=CCn1c(=O)c(CI)nc2ccccc21
InChIInChI=1S/C12H11IN2O/c1-2-7-15-11-6-4-3-5-9(11)14-10(8-13)12(15)16/h2-6H,1,7-8H2
InChIKeyFUJXWXFIBACHAO-UHFFFAOYSA-N
XLogP2.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one
CID 54477550
3-phenyl-1-prop-2-enylquinoxalin-2-one
CID 67231173
2-fluoro-1-prop-2-enylbenzimidazole
CID 70361625
2-chloro-1-prop-2-enylbenzimidazole
CID 39916426
3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one
CID 158009502
2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride
CID 173061092
3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one
CID 134852173
3-(3-nitrophenyl)-1-prop-2-enylquinoxalin-2-one
CID 129286517
2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid
CID 43220154
N-methyl-1-(1-prop-2-enylbenzimidazol-2-yl)methanamine;dihydrochloride
CID 122236315
[1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium
CID 11429221
1-cyclopentyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965206

Frequently Asked Questions

What is the IUPAC name of 3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one?
The IUPAC name of 3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one (CID 163564919) is 3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one.
What is the SMILES notation for 3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one?
The canonical SMILES for 3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one is C=CCn1c(=O)c(CI)nc2ccccc21.
What is the InChIKey of 3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one?
The InChIKey is FUJXWXFIBACHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O/c1-2-7-15-11-6-4-3-5-9(11)14-10(8-13)12(15)16/h2-6H,1,7-8H2.
What are the key properties of 3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one?
3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one has a molecular weight of 326.14 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one is sourced from PubChem (CID 163564919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).